methyl 4-methyl-2-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-methyl-2-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[(3-benzyloxybenzoyl)carbamothioylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[[oxo-(3-phenylmethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(3-phenylmethoxybenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-benzoxybenzoyl)thiocarbamoylamino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H19N3O4S2/c1-13-17(19(26)27-2)30-21(22-13)24-20(29)23-18(25)15-9-6-10-16(11-15)28-12-14-7-4-3-5-8-14/h3-11H,12H2,1-2H3,(H2,22,23,24,25,29)